Account HS-131
- Catalog No. :
- ACYUFK992
- CAS No. :
- 2084850-40-6
- Molecular Formula :
- C71H95N7O13S2
- Molecular Weight :
- 1318.71
IUPAC Name:4-((E)-2-((2E,4E)-3-(4-(21-((2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)-6,9,12,15,18-pentaoxa-2-azahenicosyl)phenyl)-5-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | HS-131 |
|---|---|
| IUPAC Name | 4-((E)-2-((2E,4E)-3-(4-(21-((2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)-6,9,12,15,18-pentaoxa-2-azahenicosyl)phenyl)-5-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| Molecular Formula | C71H95N7O13S2 |
| Molecular Weight | 1318.71 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C(C2=CC=C(CNCCCOCCOCCOCCOCCOCCCNC3=CC(N4N=C(C)C5=C4CC(C)(C)CC5=O)=CC=C3C(N)=O)C=C2)=C/C=C6N(CCCCS(=O)(O)=O)C7=C(C=CC=C7)C/6(C)C)C(C)(C)C8=C1C=CC=C8)([O-])=O |
| InChI Key | UYNYHTXDTCBXTN-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[(1E,3Z,5E)-3-[4-[21-[[2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)phenyl]amino]-6,9,12,15,18-pentaoxa-2-azaheneicos-1-yl]phenyl]-5-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt |
| CAS No. | 2084850-40-6 |
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